tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate

C17H27N3O3 — CID 86329095

IUPACtert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
SMILESCc1cc(C)nc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H27N3O3/c1-12-10-13(2)19-15(18-12)22-11-14-8-6-7-9-20(14)16(21)23-17(3,4)5/h10,14H,6-9,11H2,1-5H3/t14-/m1/s1
InChIKeyQMTYQPHVOVPRJX-CQSZACIVSA-N
MW321.42 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate (PubChem CID 86329095) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
PubChem CID86329095
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
SMILESCc1cc(C)nc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C17H27N3O3/c1-12-10-13(2)19-15(18-12)22-11-14-8-6-7-9-20(14)16(21)23-17(3,4)5/h10,14H,6-9,11H2,1-5H3/t14-/m1/s1
InChIKeyQMTYQPHVOVPRJX-CQSZACIVSA-N
XLogP3.26
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[2-(4-chloro-6-methylpyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 97176326
tert-butyl (2S)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173570
tert-butyl (2R)-2-[(4-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97173569
tert-butyl (2R)-2-[[(R)-(4,6-dimethylpyrimidin-2-yl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97176259
tert-butyl 2-[(2-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 71631756
tert-butyl (2S)-2-[(6-chloropyrimidin-4-yl)oxymethyl]piperidine-1-carboxylate
CID 97173580
tert-butyl (2S)-2-[(3-methyl-1,2-oxazol-5-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 56950044
tert-butyl 2-[(5-bromo-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 71631757
tert-butyl (2R)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176826
tert-butyl (2S)-2-[3-(4-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176825
tert-butyl (2R)-2-[(6-methyl-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 54565827
tert-butyl 2-[2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 71634410

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate (CID 86329095) is tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate is Cc1cc(C)nc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is QMTYQPHVOVPRJX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12-10-13(2)19-15(18-12)22-11-14-8-6-7-9-20(14)16(21)23-17(3,4)5/h10,14H,6-9,11H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 86329095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).